2-[4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C24H27ClN5O2+ MolecularWeight: 452.95648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C24H26ClN5O2/c1-18-22(23(25)30(27-18)20-10-6-3-7-11-20)24(32)29-14-12-28(13-15-29)17-21(31)26-16-19-8-4-2-5-9-19/h2-11H,12-17H2,1H3,(H,26,31)/p+1